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Pharmacophore model
1. Benzene Identification of a Protein
to Produce a Pharmacophore Model
RISE Program
Alberto Cintron
Nicole Colon
Natalia Manzano
Wilmarie Morales
Mentor: Carlos Santos
2. Objectives
• Benzene Clusters Identification
• Creating a Pharmacophore Model using the hot spots
identified by the clusters identification
3. Terminology
• Hot spots:
• Pharmacophore Model
• Benzenes
• Cluster
4. Methodology
• Part I
• Using the PyMol Program we saved the molecule with the
benzenes.
• Part II
• Using LigandScout we produce the pharmacophore model
• Generate the model using the specific benzenes(1, 13, 21, 26)